[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

C15H17F2N3OS2 — CID 49071146

IUPAC[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17F2N3OS2/c1-10-13(23-14(18-10)11-2-7-22-9-11)15(21)20-5-3-19(4-6-20)8-12(16)17/h2,7,9,12H,3-6,8H2,1H3
InChIKeyRJZWPCZMAWMQOJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.20
Rot. Bonds4

About [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 49071146) has the molecular formula C15H17F2N3OS2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID49071146
Molecular FormulaC15H17F2N3OS2
Molecular Weight357.45 g/mol
Exact Mass357.08
IUPAC Name[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17F2N3OS2/c1-10-13(23-14(18-10)11-2-7-22-9-11)15(21)20-5-3-19(4-6-20)8-12(16)17/h2,7,9,12H,3-6,8H2,1H3
InChIKeyRJZWPCZMAWMQOJ-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (CID 49071146) is [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(F)F)CC1.
What is the InChIKey of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is RJZWPCZMAWMQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS2/c1-10-13(23-14(18-10)11-2-7-22-9-11)15(21)20-5-3-19(4-6-20)8-12(16)17/h2,7,9,12H,3-6,8H2,1H3.
What are the key properties of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 49071146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).